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Iron(Iii) Pyrophosphate
CAS: 10058-44-3 | H4FeO7P2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
10058-44-3
Molecular Formula:
H4FeO7P2
Molecular Mass:
233.82 g/mol
Names and Synonyms:
Iron(Iii) Pyrophosphate
Diphosphoric acid, iron(3+) salt (3:4)
Pyrophosphoric acid, iron(3+) salt (3:4)
Iron pyrophosphate (Fe4(P2O7)3)
Ferric pyrophosphate
Iron phosphate (Fe4(P2O7)3)
Iron diphosphate (Fe4(P2O7)3)
Sunactive Fe
Sunactive Fe 80
Sunactive Fe 12
Tetrairon tris(pyrophosphate)
Sunactive FeM
SunActive F-P 80
Arion
Feramol
Ferric diphosphate
Ferrsorb
Identifiers:
SMILES:
O=P(O)(O)OP(=O)(O)O.[Fe]
InChI:
InChI=1S/Fe.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 233.82 g/mol | CAS Common Chemistry |
| 233.818 g/mol | RDKit | |
| 233.878163228 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Iron(III)_pyrophosphate | CAS Common Chemistry |
| Canonical SMILES | [Fe].O=P(O)(O)OP(=O)(O)O | CAS Common Chemistry |
| InChI | InChI=1S/Fe.H4O7P2/c;1-8(2,3)7-9(4,5)6/h;(H2,1,2,3)(H2,4,5,6) | CAS Common Chemistry |
| InChI Key | InChIKey=ZDVDTRZOPBKZNG-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ferric pyrophosphate | CAS Common Chemistry |
| Iron(III) pyrophosphate | CAS Common Chemistry | |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 124.29000000000002 Ų | RDKit |
| LogP | -0.8141 | RDKit |
| Molar Refractivity | 25.17319999999999 | RDKit |
